4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxido-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-oxido-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxido-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-keto-3-oxido-prop-1-enyl]benzoate Formula: C17H9NO5S-2 MolecularWeight: 339.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=CC=C(C=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C/C3=CC=C(C=C3)C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C17H11NO5S/c19-15(20)11-7-5-10(6-8-11)9-14(16(21)22)24-17-18-12-3-1-2-4-13(12)23-17/h1-9H,(H,19,20)(H,21,22)/p-2/b14-9+